| SpectraBase Compound ID | 8zLfgfpPwmk |
|---|---|
| InChI | InChI=1S/C9H11ClS/c1-8-2-4-9(5-3-8)11-7-6-10/h2-5H,6-7H2,1H3 |
| InChIKey | MIQDWQOHZJYLBJ-UHFFFAOYSA-N |
| Mol Weight | 186.7 g/mol |
| Molecular Formula | C9H11ClS |
| Exact Mass | 186.026999 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Y7SjAZDTyC |
|---|---|
| Name | 1-(2-Chloroethylthio)-4-methyl-benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.026999228 u |
| Formula | C9H11ClS |
| InChI | InChI=1S/C9H11ClS/c1-8-2-4-9(5-3-8)11-7-6-10/h2-5H,6-7H2,1H3 |
| InChIKey | MIQDWQOHZJYLBJ-UHFFFAOYSA-N |
| Molecular Weight | 186.700 g/mol |
| SMILES | C(SC1=CC=C(C)C=C1)CCl |